Basic information
- CAS
38955-22-5- Standard SMILES
O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21- InChIKey
OUNSOXPSCMCFHX-UHFFFAOYSA-N- Molecular formula
- C19H19Cl2N3O3
- Average molar mass
- 408.3 g/mol
- Monoisotopic mass
- 407.0803469
Overview
Pinadoline is an aromatic ether.
Names & identifiers
- Preferred name
- Pinadoline
- IUPAC
- 3-chloro-N'-(5-chloropentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide
- English name
- Pinadoline
- Molecular weight
- 0
Names & synonyms
PINADOLINE38955-22-5SC-25469KUO32K2TRDDTXSID401922518-chlorodibenz(b,f)(1,4)oxazepine-10(11H)carboxylic acid 2-(5-chloro-1-oxopentyl)hydrazideRefChem:174300DTXCID50114742Pinadolina3-chloro-N'-(5-chloropentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazidePinadoline (USAN)PINADOLINE [USAN]
Show more names
N'-(5-Chloro-1-oxopentyl)-8-chlorodibenz[b,f][1,4]oxazepine-10(11H)-carbohydrazide
Pinadolinum8-chloro-N'-(5-chloropentanoyl)dibenzo[b,f][1,4]oxazepine-10(11H)-carbohydrazideDibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(5-chloro-1-oxopentyl)hydrazidePinadolinum [Latin]Pinadolina [Spanish]Pinadoline [USAN:INN]UNII-KUO32K2TRDPINADOLINE [INN]
Database identifiers
- CAS
38955-22-5- PubChem CID
- 38191
- DTXSID
DTXSID40192251- ChEMBL
CHEMBL114395- ChEBI
CHEBI:177496- UNII
- KUO32K2TRD
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- FDA UNII
- 32 K2TRD · KUO32K2TRD
Chemistry & industry
Applications
UsesAnalgesic.
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: Pinadoline is an aromatic ether.
Related reactions
4 records
Compound notes
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